Mrv0541 02241217442D          

 11 12  0  0  0  0            999 V2000
   -1.0116   -1.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -1.0520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3636   -1.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0116   -0.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876    0.1620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209   -0.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070   -0.2427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6070    0.5667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302    1.2954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2016    0.8907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1209    1.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
CHEM030641

> <DATABASE_NAME>
chemdb

> <SMILES>
CC1C=CC2CC1OC2(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4-5,7-9H,6H2,1-3H3

> <INCHI_KEY>
OVUFWOJDFGZYRB-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.78692415253361

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene

> <ALOGPS_LOGP>
2.68

> <JCHEM_LOGP>
2.0708941076666667

> <ALOGPS_LOGS>
-2.97

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.192487026877308

> <JCHEM_POLAR_SURFACE_AREA>
9.23

> <JCHEM_REFRACTIVITY>
46.8109

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.63e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-2-ene

> <JCHEM_VEBER_RULE>
1

> <NAME>
6,8-Epoxy-p-menth-2-ene

> <CAS>
52812-45-0

$$$$